- InChI
- InChI=1S/C17H23BrO5/c1-3-22-16(19)7-5-4-6-8-17(20)23-12-13-9-10-14(18)11-15(13)21-2/h9-11H,3-8,12H2,1-2H3
- InChI Key
- UMIJAWFVASLJFO-UHFFFAOYSA-N
- Formula
- C17H23BrO5
- SMILES
-
CCOC(=O)CCCCCC(=O)OCc1ccc(Br)c
c1OC - Molecular Weight1
- 387.27
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.9157 | Relay (1.0) Calculated Property | |
| ΔfG° | -373.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -882.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.014 | Crippen Calculated Property | |
| McVol | 264.880 | ml/mol | McGowan Calculated Property |
| Pc | 1728.90 | kPa | Joback Calculated Property |
| Inp | [2553.00; 2553.00] |
|
|
| Inp | 2553.00 | NIST | |
| Inp | 2553.00 | NIST | |
| Tboil | 649.62 | K | Relay (1.0) Calculated Property |
| Tc | 846.40 | K | Relay (1.0) Calculated Property |
| Tfus | 315.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.965 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [770.17; 832.75] | J/mol×K | [866.16; 1077.81] |
|
| Cp,gas | 770.17 | J/mol×K | 866.16 | Joback Calculated Property |
| Cp,gas | 783.38 | J/mol×K | 901.44 | Joback Calculated Property |
| Cp,gas | 795.47 | J/mol×K | 936.71 | Joback Calculated Property |
| Cp,gas | 806.45 | J/mol×K | 971.99 | Joback Calculated Property |
| Cp,gas | 816.32 | J/mol×K | 1007.26 | Joback Calculated Property |
| Cp,gas | 825.08 | J/mol×K | 1042.54 | Joback Calculated Property |
| Cp,gas | 832.75 | J/mol×K | 1077.81 | Joback Calculated Property |
| η | [0.0000505; 0.0003352] | Pa×s | [559.16; 866.16] |
|
| η | 0.0003352 | Pa×s | 559.16 | Joback Calculated Property |
| η | 0.0002143 | Pa×s | 610.33 | Joback Calculated Property |
| η | 0.0001468 | Pa×s | 661.49 | Joback Calculated Property |
| η | 0.0001062 | Pa×s | 712.66 | Joback Calculated Property |
| η | 0.0000802 | Pa×s | 763.83 | Joback Calculated Property |
| η | 0.0000627 | Pa×s | 814.99 | Joback Calculated Property |
| η | 0.0000505 | Pa×s | 866.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 4-bromo-2-methoxybenzyl ethyl ester.
Sources
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